3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H24N4O3 — CID 112833632

About 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 112833632) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 112833632
• Molecular Formula: C25H24N4O3
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.18
• IUPAC Name: 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc(C(C)C)nc2onc(C)c12
• InChI: InChI=1S/C25H24N4O3/c1-14(2)20-13-19(22-16(4)29-32-25(22)28-20)24(31)27-21-12-17(11-10-15(21)3)23(30)26-18-8-6-5-7-9-18/h5-14H,1-4H3,(H,26,30)(H,27,31)
• InChIKey: PRTFTRGYNRIVJD-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 112833632) is 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cc(C(C)C)nc2onc(C)c12.

What is the InChIKey of 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is PRTFTRGYNRIVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-14(2)20-13-19(22-16(4)29-32-25(22)28-20)24(31)27-21-12-17(11-10-15(21)3)23(30)26-18-8-6-5-7-9-18/h5-14H,1-4H3,(H,26,30)(H,27,31).

What are the key properties of 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 112833632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).